6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

C20H22N2O3 — CID 172553851

IUPAC6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)o1
InChIInChI=1S/C20H22N2O3/c1-13-2-5-17(24-13)15-3-4-16-11-19(25-18(16)10-15)20(23)22-12-14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9,12H2,1H3,(H,22,23)
InChIKeyFYCQOJFIAONFMZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.73
Rot. Bonds4

About 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide

6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 172553851) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID172553851
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)o1
InChIInChI=1S/C20H22N2O3/c1-13-2-5-17(24-13)15-3-4-16-11-19(25-18(16)10-15)20(23)22-12-14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9,12H2,1H3,(H,22,23)
InChIKeyFYCQOJFIAONFMZ-UHFFFAOYSA-N
XLogP3.73
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889337
6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889369
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 168890484
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
3-piperidin-4-ylpropyl 6-methoxy-1-benzofuran-2-carboxylate
CID 171781666
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 172553851) is 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)oc3c2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FYCQOJFIAONFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-2-5-17(24-13)15-3-4-16-11-19(25-18(16)10-15)20(23)22-12-14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9,12H2,1H3,(H,22,23).
What are the key properties of 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide?
6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 172553851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).